N-2 dissociation on W(110): An ab initio molecular dynamics study on the effect of phonons

Seventh Framework Programme (FP7

Generation of an ultrastable 578 nm laser for Yb lattice clock

In this paper we described the development and the characterization of a 578 nm laser source to be the clock laser for an Ytterbium Lattice Optical clock. Two independent laser sources have been realized and the characterization of the stability with a beat note technique is presente

A Lagrangian-based continuum homogenization approach applicable to molecular dynamics simulations

AbstractThe continuum notions of effective mechanical quantities as well as the conditions that give meaningful deformation processes for homogenization problems with large deformations are reviewed. A continuum homogenization model is presented and recast as a Lagrangian-based approach for heterogeneous media that allows for an extension to discrete systems simulated via molecular dynamics (MD). A novel constitutive relation for the effective stress is derived so that the proposed Lagrangian-based approach can be used for the determination of the “stress–deformation” behavior of particle systems. The paper is concluded with a careful comparison between the proposed method and the Parrinello–Rahman approach to the determination of the “stress–deformation” behavior for MD systems. When compared with the Parrinello–Rahman method, the proposed approach clearly delineates under what conditions the Parrinello–Rahman scheme is valid

Microscopic Origin of the Valley Hall Effect in Transition Metal Dichalcogenides Revealed by Wavelength Dependent Mapping

The band structure of many semiconducting monolayer transition metal dichalcogenides (TMDs) possesses two degenerate valleys, with equal and opposite Berry curvature. It has been predicted that, when illuminated with circularly polarized light, interband transitions generate an unbalanced non-equilibrium population of electrons and holes in these valleys, resulting in a finite Hall voltage at zero magnetic field when a current flows through the system. This is the so-called valley Hall effect that has recently been observed experimentally. Here, we show that this effect is mediated by photo-generated neutral excitons and charged trions, and not by inter-band transitions generating independent electrons and holes. We further demonstrate an experimental strategy, based on wavelength dependent spatial mapping of the Hall voltage, which allows the exciton and trion contributions to the valley Hall effect to be discriminated in the measurement. These results represent a significant step forward in our understanding of the microscopic origin of photo-induced valley Hall effect in semiconducting transition metal dichalcogenides, and demonstrate experimentally that composite quasi-particles, such as trions, can also possess a finite Berry curvature.Comment: accepted for publication in Nano Letter